2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide

C13H13N5OS — CID 114778051

IUPAC2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C13H13N5OS/c14-6-13(19)15-7-10-8-18(17-16-10)11-1-2-12-9(5-11)3-4-20-12/h1-5,8H,6-7,14H2,(H,15,19)
InChIKeyBJCHVMNDJHADNL-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide (PubChem CID 114778051) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
PubChem CID114778051
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C13H13N5OS/c14-6-13(19)15-7-10-8-18(17-16-10)11-1-2-12-9(5-11)3-4-20-12/h1-5,8H,6-7,14H2,(H,15,19)
InChIKeyBJCHVMNDJHADNL-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
CID 114254952
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
CID 114778064
1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
CID 114419361
2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
CID 114778017
2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778510
4-[4-[[[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]methyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 177154955
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide (CID 114778051) is 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(-c2ccc3sccc3c2)nn1.
What is the InChIKey of 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide?
The InChIKey is BJCHVMNDJHADNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c14-6-13(19)15-7-10-8-18(17-16-10)11-1-2-12-9(5-11)3-4-20-12/h1-5,8H,6-7,14H2,(H,15,19).
What are the key properties of 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide has a molecular weight of 287.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).